[4-(2-methylpropoxy)phenyl] 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: [4-(2-methylpropoxy)phenyl] 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (4-isobutoxyphenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid [4-(2-methylpropoxy)phenyl] ester IUPAC Name: [4-(2-methylpropoxy)phenyl] 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (4-isobutoxyphenyl) ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-11(2)10-23-12-3-5-13(6-4-12)24-25(21,22)14-7-8-15(17)16(9-14)18(19)20/h3-9,11H,10,17H2,1-2H3